N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

C19H22BrClN2O — CID 119750778

IUPACN-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O.ClH/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14;/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23);1H
InChIKeyADZDNNDUDDRNNV-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.08
Rot. Bonds7

About N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride

N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (PubChem CID 119750778) has the molecular formula C19H22BrClN2O and a molecular weight of 409.76 g/mol. Its IUPAC name is N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
PubChem CID119750778
Molecular FormulaC19H22BrClN2O
Molecular Weight409.76 g/mol
Exact Mass408.06
IUPAC NameN-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)NC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O.ClH/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14;/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23);1H
InChIKeyADZDNNDUDDRNNV-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 119716453
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
2-(cyclopropylmethylamino)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 119716624
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-phenylethyl)acetamide;hydrochloride
CID 119676983
2-(cyclopropylmethylamino)-N-(2-phenoxy-1-phenylethyl)acetamide;hydrochloride
CID 119779869
N-[(R)-(4-bromophenyl)-phenylmethyl]-3-phenylpropanamide
CID 985952
N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
1-[4-[1-(4-bromophenyl)ethyl]piperazin-1-yl]-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119894341

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride (CID 119750778) is N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)NC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
The InChIKey is ADZDNNDUDDRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O.ClH/c20-17-10-8-16(9-11-17)19(15-4-2-1-3-5-15)22-18(23)13-21-12-14-6-7-14;/h1-5,8-11,14,19,21H,6-7,12-13H2,(H,22,23);1H.
What are the key properties of N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride?
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride has a molecular weight of 409.76 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119750778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).